SCHEMBL8518079

SCHEMBL8518079

CC(CNC(=O)OC(C)(C)C)CN[C@@H](Cc1ccccc1)[C@@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
ATM Q13315 1/20 0.48
KLK5 Q9Y337 2/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
APP P05067 2/20 0.45
PCSK9 Q8NBP7 1/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
REN P00797 2/20 0.42
ACE P12821 1/20 0.42
IDO1 P14902 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10238709 0.85 ATM (0.56) SYKATMKLK5CTSSCTSL
SCHEMBL2736627 0.85 ATM (0.56) SYKATMKLK5CTSSCTSL
SCHEMBL4372922 0.83 KLK5 (0.50) SYKATMKLK5CTSSCTSL
SCHEMBL27796636 0.81 KLK5 (0.63) ATMKLK5CTSSCTSLCTSB
SCHEMBL27502332 0.81 KLK5 (0.63) ATMKLK5CTSSCTSLCTSB
SCHEMBL8486327 0.81 KLK5 (0.63) ATMKLK5CTSSCTSLCTSB
SCHEMBL27486450 0.81 KLK5 (0.63) ATMKLK5CTSSCTSLCTSB
SCHEMBL10188447 0.79 ATM (0.56) SYKATMKLK5CTSSCTSL
SCHEMBL3604545 0.78 MMP2 (0.58) SYKATMKLK5CTSSCTSL
SCHEMBL2548977 0.78 MMP2 (0.58) SYKATMKLK5CTSSCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999059989-A1 PROCESS FOR THE PREPARATION OF A BENZO FUSED HETEROCYCLO SULFONYL HALIDE INTERMEDIATE G.D. SEARLE & CO. (US) 1999-11-25 WO disclosed